%chk=000213345.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213345

1 1
S 4.133798 0.826964 0.271585
F 0.060464 -3.906926 -2.270550
F -1.179920 -3.061464 -0.795934
F -1.080750 -2.187629 -2.708339
N -4.969097 -1.687304 -0.224087
N -3.167885 0.488288 0.576376
N 1.157561 1.333290 0.708086
C -4.228851 -0.804992 -1.234754
C -4.232823 -1.658325 1.119546
C -3.955123 0.605094 -0.689096
C -3.979117 -0.222813 1.610050
C -6.394444 -1.211962 -0.054382
C -4.993529 -3.111150 -0.740780
C -2.664854 1.821973 1.047605
C -1.257379 2.052381 0.479017
C -0.174828 1.401232 1.361817
C 1.470398 0.196562 -0.085134
C 1.987045 2.500080 0.711151
C 2.820171 -0.120731 -0.382276
C 3.373952 2.384945 0.494528
C 0.463675 -0.666134 -0.557779
C 1.448106 3.779970 0.950571
C 0.815448 -1.813436 -1.287479
C 3.151676 -1.238366 -1.135778
C 4.205030 3.504386 0.502973
C 2.144582 -2.104303 -1.590395
C 2.288350 4.896030 0.982754
C 3.661454 4.767176 0.758300
C -0.287448 -2.721219 -1.756140
H -4.807096 -0.750178 -2.184189
H -3.251799 -1.291704 -1.481472
H -3.246738 -2.177277 0.996738
H -4.807901 -2.233993 1.878294
H -3.332435 1.155836 -1.439362
H -4.896813 1.187181 -0.584447
H -4.929832 0.288247 1.875824
H -3.380210 -0.277880 2.553545
H -6.953167 -1.839858 0.664962
H -6.436164 -0.171209 0.318421
H -6.951367 -1.238551 -1.010137
H -3.970906 -3.514918 -0.886525
H -5.513765 -3.794073 -0.043429
H -5.508344 -3.186058 -1.717377
H -3.333522 2.659815 0.749443
H -2.632958 1.850372 2.159901
H -1.063143 3.144886 0.396887
H -1.180709 1.669876 -0.559352
H -0.482872 0.368666 1.650934
H -0.062659 1.965731 2.317919
H -0.586033 -0.448802 -0.357175
H 0.379938 3.921770 1.104694
H 4.197045 -1.460241 -1.374495
H 5.277631 3.401148 0.317291
H 2.425297 -2.984597 -2.170614
H 1.862392 5.881343 1.179973
H 4.306971 5.644549 0.779192


%chk=000213345-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213345

1 1
S 4.185237 0.737085 0.219304
F -0.182493 -3.855398 -2.246772
F -1.428396 -2.968756 -0.562076
F -1.420939 -1.987428 -2.595304
N -4.884344 -1.775985 -0.236122
N -3.179923 0.525115 0.526518
N 1.137149 1.417001 0.668573
C -4.180869 -0.867871 -1.274083
C -4.112224 -1.680873 1.102287
C -3.936364 0.550695 -0.744311
C -3.921161 -0.228107 1.558910
C -6.342842 -1.372829 -0.055573
C -4.830417 -3.220415 -0.733162
C -2.712199 1.884035 0.942403
C -1.306239 2.203886 0.384983
C -0.203910 1.557413 1.275332
C 1.403239 0.251367 -0.098444
C 2.039638 2.531652 0.739029
C 2.738309 -0.145197 -0.435279
C 3.432020 2.387062 0.492391
C 0.347562 -0.595746 -0.527176
C 1.571240 3.832588 1.070110
C 0.617195 -1.790816 -1.242387
C 2.986225 -1.310462 -1.188352
C 4.307777 3.488717 0.538981
C 1.933714 -2.155604 -1.591000
C 2.452304 4.932224 1.156138
C 3.825241 4.771401 0.881459
C -0.527152 -2.638154 -1.660320
H -4.816138 -0.855940 -2.176427
H -3.223549 -1.353472 -1.512220
H -3.128174 -2.141641 0.918401
H -4.673730 -2.274208 1.843901
H -3.340721 1.074498 -1.513403
H -4.896149 1.118523 -0.648659
H -4.899728 0.242537 1.828677
H -3.321730 -0.261894 2.485875
H -6.804558 -2.031651 0.695994
H -6.407753 -0.329067 0.278628
H -6.863003 -1.485690 -1.019237
H -3.778139 -3.521962 -0.840013
H -5.338321 -3.869515 -0.002701
H -5.340493 -3.282038 -1.707062
H -3.440972 2.662573 0.623795
H -2.684919 1.918899 2.048788
H -1.171780 3.299327 0.334801
H -1.221985 1.837282 -0.654986
H -0.539916 0.548148 1.577424
H -0.095133 2.145366 2.204850
H -0.690410 -0.343548 -0.292588
H 0.510689 4.005560 1.261912
H 4.019024 -1.571661 -1.438799
H 5.371456 3.338337 0.326014
H 2.137585 -3.070407 -2.152749
H 2.055354 5.915898 1.427123
H 4.512317 5.620844 0.933504


